3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine

C15H12ClNO — CID 1489662

IUPAC3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)N=C(c1ccc(Cl)cc1)CO2
InChIInChI=1S/C15H12ClNO/c1-10-2-7-15-13(8-10)17-14(9-18-15)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3
InChIKeyMVFYNYBOUMHDPN-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.16
Rot. Bonds1

About 3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine

3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine (PubChem CID 1489662) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine
PubChem CID1489662
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine
SMILESCc1ccc2c(c1)N=C(c1ccc(Cl)cc1)CO2
InChIInChI=1S/C15H12ClNO/c1-10-2-7-15-13(8-10)17-14(9-18-15)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3
InChIKeyMVFYNYBOUMHDPN-UHFFFAOYSA-N
XLogP4.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine?
The IUPAC name of 3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine (CID 1489662) is 3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine?
The canonical SMILES for 3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine is Cc1ccc2c(c1)N=C(c1ccc(Cl)cc1)CO2.
What is the InChIKey of 3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine?
The InChIKey is MVFYNYBOUMHDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-10-2-7-15-13(8-10)17-14(9-18-15)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine?
3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine has a molecular weight of 257.72 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methyl-2H-1,4-benzoxazine is sourced from PubChem (CID 1489662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).